Compound Detail
CHEMBL494656
HARBINATIC ACID Enter ChEMBL ID:
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CC1=CC[C@@H]2[C@H](CC[C@H](OC(=O)/C=C/c3ccc(O)cc3)C2(C)C)[C@H]1CC[C@H](C)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL494656 |
| Name | HARBINATIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSKLTPLHCIUPKA-LOWUFNJHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
6.23
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL4343 | IC50 | 5.54 | 5.435 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of rat DNA polymerase beta in absence of BSA | 10425125 |
| DNA polymerase beta | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of rat DNA polymerase beta in presence of BSA | 10425125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425125 | 10.1021/np990099r | DNA polymerase beta | 2 |
Data from ChEMBL 36 via Core Engine